Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 17/20 | 0.69 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21630106 | 1.00 | TDP1 (0.69) | TDP1ABCC1KDM4EALDH1A1MAPK1 | |
| SCHEMBL30990879 | 0.94 | TDP1 (0.67) | TDP1ABCC1MAPK1 | |
| SCHEMBL21630147 | 0.94 | TDP1 (0.67) | TDP1ABCC1MAPK1 | |
| SCHEMBL21630163 | 0.93 | TDP1 (0.71) | TDP1ABCC1KDM4EMAPK1 | |
| SCHEMBL30990883 | 0.93 | TDP1 (0.71) | TDP1ABCC1KDM4EMAPK1 | |
| SCHEMBL21630157 | 0.92 | TDP1 (0.69) | TDP1ABCC1MAPK1 | |
| SCHEMBL30990888 | 0.92 | TDP1 (0.69) | TDP1ABCC1MAPK1 | |
| SCHEMBL21630127 | 0.92 | TDP1 (0.69) | TDP1ABCC1KDM4EMAPK1 | |
| SCHEMBL30990898 | 0.92 | TDP1 (0.69) | TDP1ABCC1KDM4EMAPK1 | |
| SCHEMBL21630174 | 0.88 | TDP1 (0.66) | TDP1MAPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555189-B | Zanthoxylum nitidum base derivatives as inhibitors of topoisomerase IB (TOP 1) and/or tyrosyl-DNA phosphodiesterase 1 (TDP 1) | 美国政府健康及人类服务部 | 2024-08-02 | — | — | CN | disclosed |